Geometry & MOs

Info

ID:	148290
PubChem CID:	53787952
Reduced:	PO10C57H87 (1)
Stoich.:	AB10C57D87 (1)
Weight, g/mol:	178.081622
ΔH_f, kcal/mol:	-515.6
Dipole, Da:	3.01
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-4-propylsulfanylbenzene

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC[C@H](COP(=O)(O)OC1=C(C2=C(C(=C1C)C)OC(CC2)(C)CO)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations